(4S,5R,6S)-3-[[9-[2-[4-[3-[3-(3-aminopropyl)imidazol-1-ium-1-yl]propyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethyl]-2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-3-yl]methyl]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;trichloride

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (4S,5R,6S)-3-[[9-[2-[4-[3-[3-(3-aminopropyl)imidazol-1-ium-1-yl]propyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethyl]-2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-3-yl]methyl]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;trichloride
• 英文别名: (4S,5R,6S)-3-[[9-[2-[4-[3-[3-(3-aminopropyl)imidazol-1-ium-1-yl]propyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethyl]-2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-3-yl]methyl]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;trichloride
• 化学式: C38H52Cl3N7O6S
• 分子量: 841.3
• InChiKey: ANUPMBFIIJLNOB-OIYOMZGASA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -7.71
• 重原子数：
  55
• 可旋转键数：
  14
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  158
• 氢给体数：
  3
• 氢受体数：
  11